(E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine

C11H14ClN — CID 143058851

IUPAC(E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine
SMILESCCC/C=c1/cccc/c1=C(/N)Cl
InChIInChI=1S/C11H14ClN/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-8H,2-3,13H2,1H3/b9-6-,11-10-
InChIKeyHDFHLGKYIDRWAL-ONEMGQKZSA-N
MW195.69 g/mol
LogP1.53
Rot. Bonds2

About (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine

(E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine (PubChem CID 143058851) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine.

Molecular Properties

Compound Name(E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine
PubChem CID143058851
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine
SMILESCCC/C=c1/cccc/c1=C(/N)Cl
InChIInChI=1S/C11H14ClN/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-8H,2-3,13H2,1H3/b9-6-,11-10-
InChIKeyHDFHLGKYIDRWAL-ONEMGQKZSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine?
The IUPAC name of (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine (CID 143058851) is (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine.
What is the SMILES notation for (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine?
The canonical SMILES for (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine is CCC/C=c1/cccc/c1=C(/N)Cl.
What is the InChIKey of (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine?
The InChIKey is HDFHLGKYIDRWAL-ONEMGQKZSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-8H,2-3,13H2,1H3/b9-6-,11-10-.
What are the key properties of (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine?
(E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine has a molecular weight of 195.69 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-chloromethanamine is sourced from PubChem (CID 143058851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).